Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-17 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9205 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 64.000, 64.000, 59.010 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.400 - 1.760 |
R-factor | 0.227 |
Rwork | 0.227 |
R-free | 0.25900 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.500 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXD |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.820 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.042 | 0.447 |
Number of reflections | 14215 | |
<I/σ(I)> | 28 | 4 |
Completeness [%] | 99.5 | 94.9 |
Redundancy | 21.1 | 18.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1M HEPES-Na, 10% isopropanal, 20% PEG4000 , pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |